5-methyl-3-[(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-ium-1-yl)methyl]-1,2-oxazole

Systemtic Name: 5-methyl-3-[(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-ium-1-yl)methyl]-1,2-oxazole Openeye Name: 5-methyl-3-[(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-ium-1-yl)methyl]isoxazole CAS Name: 5-methyl-3-[[4-(4-thieno[2,3-d]pyrimidinyl)-1-piperazin-1-iumyl]methyl]isoxazole IUPAC Name: 5-methyl-3-[(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-ium-1-yl)methyl]-1,2-oxazole Traditional Name: 5-methyl-3-[(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-ium-1-yl)methyl]isoxazole Formula: C15H18N5OS+ MolecularWeight: 316.40132

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)C[NH+]2CCN(CC2)C3=C4C=CSC4=NC=N3

Isomeric SMILES

CC1=CC(=NO1)C[NH+]2CCN(CC2)C3=C4C=CSC4=NC=N3

InChI

InChI=1S/C15H17N5OS/c1-11-8-12(18-21-11)9-19-3-5-20(6-4-19)14-13-2-7-22-15(13)17-10-16-14/h2,7-8,10H,3-6,9H2,1H3/p+1